1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide

C15H18N4O3S — CID 75477910

IUPAC1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
SMILESCc1c(CCNS(=O)(=O)Cc2noc3ccccc23)cnn1C
InChIInChI=1S/C15H18N4O3S/c1-11-12(9-16-19(11)2)7-8-17-23(20,21)10-14-13-5-3-4-6-15(13)22-18-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyPSEZMTTXQYTARV-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.53
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide (PubChem CID 75477910) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
PubChem CID75477910
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
SMILESCc1c(CCNS(=O)(=O)Cc2noc3ccccc23)cnn1C
InChIInChI=1S/C15H18N4O3S/c1-11-12(9-16-19(11)2)7-8-17-23(20,21)10-14-13-5-3-4-6-15(13)22-18-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyPSEZMTTXQYTARV-UHFFFAOYSA-N
XLogP1.53
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide (CID 75477910) is 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide is Cc1c(CCNS(=O)(=O)Cc2noc3ccccc23)cnn1C.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is PSEZMTTXQYTARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11-12(9-16-19(11)2)7-8-17-23(20,21)10-14-13-5-3-4-6-15(13)22-18-14/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 75477910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).